5DRT
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Histone-lysine N-methyltransferase, H3 lysine-79 specific | polymer | 334 | 38456.6 | 2 | UniProt (Q8TEK3) Pfam (PF08123) | Homo sapiens (Human) | DOT1-like protein,Histone H3-K79 methyltransferase,H3-K79-HMTase,Lysine N-methyltransferase 4 |
| 2 | C, E (A, B) | 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide | non-polymer | 436.3 | 2 | Chemie (5EG) | |||
| 3 | D (B) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 333 (UniProt: Q8TEK3)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Gly 333 | Lys 333 | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 76913.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 911.6 | |
| All* | Total formula weight | 77824.8 |
